Element = Lattice = Model = Element: Si
Lattice: hcp
Model: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7932694137096443, total energy = -16.37121194810138

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.793269419670105, total energy = -16.371211948101397

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7932694180635735, total energy = -16.37121194810139

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7932694235234576, total energy = -16.371211948101376

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7932694224640766, total energy = -16.371211948101376

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.793269424885513, total energy = -16.371211948101376

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7932694117538635, total energy = -16.371211948101383

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7932694079354405, total energy = -16.371211948101372

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7932694168761394, total energy = -16.37121194810137

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.793269415758551, total energy = -16.371211948101383

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.793269427213819, total energy = -16.37121194810137

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.793269421998411, total energy = -16.37121194810138

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.793269412475638, total energy = -16.37121194810137

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.793269431963563, total energy = -16.37121194810136

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7932694315910336, total energy = -16.37121194810136

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.793269417993724, total energy = -16.371211948101372

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.793269419949501, total energy = -16.37121194810137

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7932694254559465, total energy = -16.371211948101372

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.793269434646936, total energy = -16.37121194810138

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7932694190414615, total energy = -16.371211948101376

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7932694078423075, total energy = -16.371211948101372

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7932694145769337, total energy = -16.371211948101386

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.79326942487387, total energy = -16.371211948101376

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.793269405863245, total energy = -16.371211948101376

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7932694168761367, total energy = -16.371211948101383

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.793269439018334, total energy = -16.371211948101365

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7932694315910314, total energy = -16.37121194810136

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7932694057235494, total energy = -16.371211948101404

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7932694196701013, total energy = -16.37121194810137

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7932694081449863, total energy = -16.371211948101376

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.793269424210305, total energy = -16.371211948101376

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7932694297283858, total energy = -16.37121194810136

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 3.6491118710132793 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.7994499236992114, c = 4.540830304216337, total energy = -16.373226873822542

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 3.8771813629516094 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.7994499370446473, c = 4.540830240006711, total energy = -16.373226873822528

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 4.10525085488994 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 2.7994499355014493, c = 4.540830321543062, total energy = -16.373226873822578

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 4.33332034682827 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 76
         Function evaluations: 152
Results for this minimization:
  a = 2.7994499422713064, c = 4.540830282484849, total energy = -16.373226873822574

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 4.561389838766599 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.7994499312167855, c = 4.540830290373394, total energy = -16.37322687382258

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 4.78945933070493 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.799449950302275, c = 4.540830233189411, total energy = -16.373226873822556

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 5.017528822643261 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.7994499213295203, c = 4.5408303182542555, total energy = -16.373226873822556

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 5.24559831458159 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.7994499257703955, c = 4.54083031277093, total energy = -16.373226873822567

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326941] Angstroms and c = 5.47366780651992 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.799449941151119, c = 4.540830318848554, total energy = -16.37322687382257

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 2.7994499312167855 Angstroms, c = 4.540830290373394 Angstroms, c/a = 1.622044

 Total energy: -16.37322687382258 eV

 Cohesive energy: -4.093306718455645 eV/atom

==============================================================================
==============================================================================